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Probing into complexation and separation of chiral-at-uranium complex to chiral sulphur enantiomers R/S-ethiproles

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成果类型:
期刊论文
作者:
Ma, Ming-jie;Xiao, Chun-mei;Xiao, Xi-lin;Liao, Li-fu;Nie, Chang-ming
通讯作者:
Nie, Chang-ming(niecm196132@163.com)
作者机构:
[Liao, Li-fu; Ma, Ming-jie; Xiao, Chun-mei; Xiao, Xi-lin; Nie, Chang-ming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
[Liao, Li-fu; Ma, Ming-jie; Xiao, Chun-mei; Xiao, Xi-lin; Nie, Chang-ming] Key Lab Hunan Prov Design & Applicat Nat Actinide, Hengyang 421001, Peoples R China.
通讯机构:
[Chang-ming Nie; Chang-ming Nie Chang-ming Nie Chang-ming Nie] S
School of Chemistry and Chemical Engineering, University of South China, Hengyang, 421001 China<&wdkj&>Key Laboratory of Hunan Province for Design and Application of Natural Actinide Complexes, Hengyang, 421001 China
语种:
英文
关键词:
chiral sulphur pesticide;chiral-at-uranium complex;density functional theory (DFT);enantioselectivity;R/S-ethiproles
期刊:
Applied Organometallic Chemistry
ISSN:
0268-2605
年:
2023
卷:
37
期:
3
页码:
e6999-
基金类别:
This work was supported by the National Natural Science Foundation of China (No: 11475079) and the Hunan Provincial Natural Science Foundation of China (No: 2020JJ6049). The computational work was supported by the High-Performance Computation Center (HPCC) of University of South China.
机构署名:
本校为第一机构
院系归属:
化学化工学院
摘要:
Chiral pesticides R/S-ethiproles(R/S-EPLs) have different biotoxicity. Due to the difficulty in the separation of chiral sulphur enantiomers, it is of great significance to study the selective recognition and separation of chiral sulphur enantiomers R/S-ethiproles. Based on DFT method, we theoretically designed a novel asymmetrical ligand of 4-amino-6-(9-[5-hydroxy-1H-indol-6-yl]-4,7-dimethoxy-1,10-phenanthrolin-2-yl)-1H-indol-5-ol (AHPIL). Then we further constructed the chiral-at-uranium complex, namely, Uranyl-AHPIL, to recognize and separat...

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